4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine

C24H20F2N4 — CID 90419658

IUPAC4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(-c2ccnc3[nH]c(C4=CCN(Cc5ccccn5)CC4)cc23)c1F
InChIInChI=1S/C24H20F2N4/c25-21-6-3-5-19(23(21)26)18-7-11-28-24-20(18)14-22(29-24)16-8-12-30(13-9-16)15-17-4-1-2-10-27-17/h1-8,10-11,14H,9,12-13,15H2,(H,28,29)
InChIKeyLTXIODCUOVKOLT-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.19
Rot. Bonds4

About 4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90419658) has the molecular formula C24H20F2N4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID90419658
Molecular FormulaC24H20F2N4
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1cccc(-c2ccnc3[nH]c(C4=CCN(Cc5ccccn5)CC4)cc23)c1F
InChIInChI=1S/C24H20F2N4/c25-21-6-3-5-19(23(21)26)18-7-11-28-24-20(18)14-22(29-24)16-8-12-30(13-9-16)15-17-4-1-2-10-27-17/h1-8,10-11,14H,9,12-13,15H2,(H,28,29)
InChIKeyLTXIODCUOVKOLT-UHFFFAOYSA-N
XLogP5.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 90419658) is 4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine is Fc1cccc(-c2ccnc3[nH]c(C4=CCN(Cc5ccccn5)CC4)cc23)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LTXIODCUOVKOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4/c25-21-6-3-5-19(23(21)26)18-7-11-28-24-20(18)14-22(29-24)16-8-12-30(13-9-16)15-17-4-1-2-10-27-17/h1-8,10-11,14H,9,12-13,15H2,(H,28,29).
What are the key properties of 4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 402.45 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-2-[1-(pyridin-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90419658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).